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3-[3-(dimethylamino)prop-1-ynyl]-5-(2-phenylethynyl)-1-indazolecarboxylic acid tert-butyl ester
SpectraBase Compound ID KOCJjalAvgT
InChI InChI=1S/C25H25N3O2/c1-25(2,3)30-24(29)28-23-16-15-20(14-13-19-10-7-6-8-11-19)18-21(23)22(26-28)12-9-17-27(4)5/h6-8,10-11,15-16,18H,17H2,1-5H3
InChIKey GPKYDPVBDJWLRY-UHFFFAOYSA-N
Mol Weight 399.49 g/mol
Molecular Formula C25H25N3O2
Exact Mass 399.194677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 74aypt4sQ0K
Name 3-[3-(dimethylamino)prop-1-ynyl]-5-(2-phenylethynyl)-1-indazolecarboxylic acid tert-butyl ester
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Formula C25H25N3O2
InChI InChI=1S/C25H25N3O2/c1-25(2,3)30-24(29)28-23-16-15-20(14-13-19-10-7-6-8-11-19)18-21(23)22(26-28)12-9-17-27(4)5/h6-8,10-11,15-16,18H,17H2,1-5H3
InChIKey GPKYDPVBDJWLRY-UHFFFAOYSA-N
Molecular Weight 399.494 g/mol
SMILES c1(n[n](c2ccc(cc12)C#Cc1ccccc1)C(=O)OC(C)(C)C)C#CCN(C)C
SPLASH splash10-0a4j-0190000000-02f47be065b33d5167ba
Source of Spectrum C5-2005-778-8
Synonyms 3-[3-(dimethylamino)prop-1-ynyl]-5-(2-phenylethynyl)indazole-1-carboxylic acid tert-butyl ester tert-Butyl 3-[3-(dimethylamino)prop-1-ynyl]-5-(2-phenylethynyl)indazole-1-carboxylate
Wiley ID 1618259